SCHEMBL6010133

SCHEMBL6010133

O=[C]c1ccc(-c2cc(Cl)ccc2O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.51
EPHX2 P34913 1/20 0.47
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PIM1 P11309 1/20 0.38
IDO1 P14902 4/20 0.37
P2RX1 P51575 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.37
ERN1 O75460 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2324496 0.80 MAPT (0.46) HPGDALDH1A1HSD17B10HTTMEN1
SCHEMBL6009499 0.77 ALDH1A1 (0.62) SLC9A1HPGDALDH1A1TSHRHSD17B10
SCHEMBL6010140 0.74 PIK3CA (0.57) SLC9A1EPHX2PIK3CAPIK3CGHPGD
SCHEMBL6009508 0.74 SLC9A1 (0.56) SLC9A1HPGDALDH1A1TSHRMAPT
SCHEMBL6009556 0.74 SLC9A1 (0.56) SLC9A1HPGDALDH1A1TSHRMEN1
SCHEMBL27669331 0.72 SLC9A1 (0.52) SLC9A1EPHX2PIK3CAPIK3CGCA1
SCHEMBL2322085 0.72 ALDH1A1 (0.44) SLC9A1HPGDALDH1A1HTTMEN1
SCHEMBL4943019 0.71 SLC9A1 (0.61) SLC9A1HPGDALDH1A1MAPTS1PR2
SCHEMBL27669329 0.70 SLC9A1 (0.50) SLC9A1EPHX2PIK3CAPIK3CGCA1
SCHEMBL31093991 0.70 HSD17B10 (0.62) EPHX2CA1CA2HPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed